SCHEMBL10059952

SCHEMBL10059952

O=c1ccc(-c2cccc(O)c2)cn1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.48
HSD17B2 P37059 4/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP1A2 P05177 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
BLM P54132 1/20 0.47
HSD17B10 Q99714 1/20 0.47
COMT P21964 6/20 0.46
IDH1 O75874 1/20 0.45
OPRD1 P41143 2/20 0.43
PDE10A Q9Y233 1/20 0.43
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
OPRM1 P35372 1/20 0.43
ESRRA P11474 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2B6 P20813 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10059939 0.85 IDH1 (0.44) HSD17B1HSD17B2CYP3A4CYP2C9CYP1A2
SCHEMBL10059957 0.83 KDM4E (0.53) CYP1A2KDM4EALDH1A1HPGDBLM
SCHEMBL10021078 0.83 ALDH1A1 (0.60) CYP3A4CYP2C9CYP1A2KDM4EALDH1A1
SCHEMBL10078777 0.82 IDH1 (0.53) CYP1A2KDM4EALDH1A1HPGDBLM
SCHEMBL16474696 0.81 MEN1 (0.48) CYP1A2KDM4EALDH1A1HPGDBLM
SCHEMBL10059852 0.81 KDM4E (0.47) CYP3A4CYP2C9CYP1A2KDM4EALDH1A1
SCHEMBL12332881 0.81 ALDH1A1 (0.47) CYP3A4CYP2C9CYP1A2KDM4EALDH1A1
SCHEMBL10059871 0.81 ACMSD (0.47) CYP2C9CYP1A2KDM4EALDH1A1HPGD
SCHEMBL10079111 0.79 ALDH1A1 (0.54) HSD17B1HSD17B2CYP1A2ALDH1A1MEN1
SCHEMBL10079119 0.78 ALDH1A3 (0.50) CYP1A2KDM4EALDH1A1HPGDBLM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290450-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2016-03-22 US disclosed
US-9290450-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2016-03-22 US disclosed
US-8969347-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. 2015-03-03 US disclosed
US-8969347-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. 2015-03-03 US disclosed
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2013-04-25 US disclosed
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2013-04-25 US disclosed
US-8304413-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2012-11-06 US disclosed
US-8304413-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2012-11-06 US disclosed
US-20120014917-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS UNIVERSITY OF MINNESOTA (US) 2012-01-19 US disclosed
US-20120014917-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS UNIVERSITY OF MINNESOTA (US) 2012-01-19 US disclosed
US-20110218515-A1 Methods for Treating Acute Myocardial Infarctions and Associated Disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-08 US disclosed
US-20110218515-A1 Methods for Treating Acute Myocardial Infarctions and Associated Disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-08 US disclosed
WO-2010135470-A1 PIFENIDONE DERIVATIVES FOR TREATING BRONCHIAL ASTHMA INTERMUNE, INC. (US) 2010-11-25 WO disclosed
WO-2010132864-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS INTERMUNE, INC. (US) 2010-11-18 WO disclosed
US-20100190731-A1 METHODS FOR TREATING ACUTE MYOCARDIAL INFARCTIONS AND ASSOCIATED DISORDERS INTERMUNE, INC. 2010-07-29 US disclosed
US-20100190731-A1 METHODS FOR TREATING ACUTE MYOCARDIAL INFARCTIONS AND ASSOCIATED DISORDERS INTERMUNE, INC. 2010-07-29 US disclosed
WO-2010085805-A1 METHODS FOR TREATING ACUTE MYOCARDIAL INFARCTIONS AND ASSOCIATED DISORDERS INTERMUNE, INC. (US) 2010-07-29 WO disclosed
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2009-12-24 US disclosed
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2009-12-24 US disclosed
WO-2009149188-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2009-12-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100190731-A1 METHODS FOR TREATING ACUTE MYOCARDIAL INFARCTIONS AND ASSOCIATED DISORDERS TNNI3, FABP3, TNNT2 HSD17B1 1147/4885HSD17B2 1078/4885CYP3A4 3392/4885
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 HSD17B1 2178/4885HSD17B2 2354/4885CYP3A4 3906/4885
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 HSD17B1 2178/4885HSD17B2 2354/4885CYP3A4 3906/4885
US-20120014917-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS MMP1, MMP8, CCL11 HSD17B1 1099/4885HSD17B2 1186/4885CYP3A4 3433/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.